ethyl 3-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-(2,5-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-mesyl-2,5-dimethyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-6-28-21(25)17-10-9-15(3)18(12-17)22-20(24)13-23(29(5,26)27)19-11-14(2)7-8-16(19)4/h7-12H,6,13H2,1-5H3,(H,22,24)